CID 6435858

Glyceryl lactooleate

Structural Information

Molecular Formula
C24H44O6
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)COC(C)C(=O)O
InChI
InChI=1S/C24H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)30-22(19-25)20-29-21(2)24(27)28/h10-11,21-22,25H,3-9,12-20H2,1-2H3,(H,27,28)/b11-10-
InChIKey
KOLAFJFESDNVMY-KHPPLWFESA-N
Compound name
2-[3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

87
Patents

428.31378 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.32106 212.7
[M+Na]+ 451.30300 218.8
[M-H]- 427.30650 205.5
[M+NH4]+ 446.34760 215.3
[M+K]+ 467.27694 215.6
[M+H-H2O]+ 411.31104 207.0
[M+HCOO]- 473.31198 216.0
[M+CH3COO]- 487.32763 226.8
[M+Na-2H]- 449.28845 201.6
[M]+ 428.31323 211.6
[M]- 428.31433 211.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.